3-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid CAS Name: 3-(2,5-dimethyl-1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid Traditional Name: 3-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid Formula: C15H17NO2S MolecularWeight: 275.36598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(SC3=C2CCCC3)C(=O)O)C

Isomeric SMILES

CC1=CC=C(N1C2=C(SC3=C2CCCC3)C(=O)O)C

InChI

InChI=1S/C15H17NO2S/c1-9-7-8-10(2)16(9)13-11-5-3-4-6-12(11)19-14(13)15(17)18/h7-8H,3-6H2,1-2H3,(H,17,18)